cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine

C39H54N6 — CID 159892681

IUPACcumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
SMILESCC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1
InChIInChI=1S/C9H12.2C8H11N.2C7H10N2/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7/h3-8H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyNUYLZNUNYAYPIS-UHFFFAOYSA-N
MW606.90 g/mol
LogP10.42
Rot. Bonds5

About cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine

cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine (PubChem CID 159892681) has the molecular formula C39H54N6 and a molecular weight of 606.90 g/mol. Its IUPAC name is cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
PubChem CID159892681
Molecular FormulaC39H54N6
Molecular Weight606.90 g/mol
Exact Mass606.44
IUPAC Namecumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
SMILESCC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1
InChIInChI=1S/C9H12.2C8H11N.2C7H10N2/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7/h3-8H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyNUYLZNUNYAYPIS-UHFFFAOYSA-N
XLogP10.42
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.90
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
CID 161329033
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine
CID 159400797
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine
CID 159505625
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole
CID 159702479

Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine?
The IUPAC name of cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine (CID 159892681) is cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine.
What is the SMILES notation for cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine?
The canonical SMILES for cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine is CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1.
What is the InChIKey of cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine?
The InChIKey is NUYLZNUNYAYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H11N.2C7H10N2/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7/h3-8H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine?
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine has a molecular weight of 606.90 g/mol, XLogP of 10.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine is sourced from PubChem (CID 159892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).